ABSTRACT: Low-dimensional materials have attracted considerable scientific interest because spatial confinement at the nanoscale can produce quantum-mechanical properties that differ substantially from those observed in conventional bulk materials. Their reduced dimensionality, large surface-to-volume ratio, modified electronic interactions, and sensitivity to structural perturbations provide opportunities for tailoring electronic, magnetic, optical, and.....
Keywords: Low-dimensional materials; Quantum mechanics; Density Functional Theory; Electronic structure; Defect engineering; Strain engineering; First-principles calculations
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